MC3181 | CAS#unknown | Antiproliferative agent

MedKoo Cat#: 464039 | Name: MC3181

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MC3181 is an antiproliferative agent. MC3181 also reduces the invasiveness of melanoma tumors and lowers the incidence of metastasis in vitro.

Chemical Structure

MC3181

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464039

Name: MC3181

CAS#: unknown

Chemical Formula: C12H15N3O6S

Exact Mass: 329.0682

Molecular Weight: 329.33

Elemental Analysis: C, 43.77; H, 4.59; N, 12.76; O, 29.15; S, 9.74

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

MC3181; MC 3181; MC-3181;

IUPAC/Chemical Name

2-(2-(2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)ethoxy)ethoxy)ethan-1-ol

InChi Key

HBUVTZWKAJNMMO-UHFFFAOYSA-N

InChi Code

InChI=1S/C12H15N3O6S/c16-3-4-19-5-6-20-7-8-22-10-2-1-9(15(17)18)11-12(10)14-21-13-11/h1-2,16H,3-8H2

SMILES Code

OCCOCCOCCSC1=CC=C([N+]([O-])=O)C2=NON=C21

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	Soluble in DMSO	0.0	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 329.33 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Di Paolo V, Fulci C, Rotili D, De Luca A, Tomassi S, Serra M, Scimeca M, Geroni C, Quintieri L, Caccuri AM. Characterization of water-soluble esters of nitrobenzoxadiazole-based GSTP1-1 inhibitors for cancer treatment. Biochem Pharmacol. 2020 Aug;178:114060. doi: 10.1016/j.bcp.2020.114060. Epub 2020 May 29. PMID: 32473836. 2: Sciarretta F, Fulci C, Palumbo C, Rotili D, Tentori L, Graziani G, Caccuri AM. Effects of Glutathione Transferase-Targeting Nitrobenzoxadiazole Compounds in Relation to PD-L1 Status in Human Melanoma Cells. Chemotherapy. 2019;64(3):138-145. doi: 10.1159/000503339. Epub 2019 Oct 22. PMID: 31639786. 3: De Luca A, Carpanese D, Rapanotti MC, Viguria TM, Forgione MA, Rotili D, Fulci C, Iorio E, Quintieri L, Chimenti S, Bianchi L, Rosato A, Caccuri AM. The nitrobenzoxadiazole derivative MC3181 blocks melanoma invasion and metastasis. Oncotarget. 2017 Feb 28;8(9):15520-15538. doi: 10.18632/oncotarget.14690. PMID: 28107182; PMCID: PMC5362503. 4: Palumbo C, De Luca A, Rosato N, Forgione M, Rotili D, Caccuri AM. c-Jun N-terminal kinase activation by nitrobenzoxadiazoles leads to late-stage autophagy inhibition. J Transl Med. 2016 Feb 4;14:37. doi: 10.1186/s12967-016-0796-x. PMID: 26847645; PMCID: PMC4743117. 5: Graziani G, Artuso S, De Luca A, Muzi A, Rotili D, Scimeca M, Atzori MG, Ceci C, Mai A, Leonetti C, Levati L, Bonanno E, Tentori L, Caccuri AM. A new water soluble MAPK activator exerts antitumor activity in melanoma cells resistant to the BRAF inhibitor vemurafenib. Biochem Pharmacol. 2015 May 1;95(1):16-27. doi: 10.1016/j.bcp.2015.03.004. Epub 2015 Mar 17. PMID: 25795251. 6: De Luca A, Rotili D, Carpanese D, Lenoci A, Calderan L, Scimeca M, Mai A, Bonanno E, Rosato A, Geroni C, Quintieri L, Caccuri AM. A novel orally active water-soluble inhibitor of human glutathione transferase exerts a potent and selective antitumor activity against human melanoma xenografts. Oncotarget. 2015 Feb 28;6(6):4126-43. doi: 10.18632/oncotarget.2798. PMID: 25595904; PMCID: PMC4414177.